94169-62-7Relevant academic research and scientific papers
Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times
Mollica, Luca,Theret, Isabelle,Antoine, Mathias,Perron-Sierra, Fran?oise,Charton, Yves,Fourquez, Jean-Marie,Wierzbicki, Michel,Boutin, Jean A.,Ferry, Gilles,Decherchi, Sergio,Bottegoni, Giovanni,Ducrot, Pierre,Cavalli, Andrea
supporting information, p. 7167 - 7176 (2016/08/24)
Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational to
Modified approach for preparing (E)-Stilbenes related to resveratrol, and evaluation of their potential immunobiological effects
Smidrkal, Jan,Harmatha, Juraj,BudiSinsky, Milo,Vokae, Karel,ZIDEKc, Zdenik,Kmoniekova, Eva,Merkl, Roman,Filip, Vladimir
scheme or table, p. 175 - 186 (2010/07/10)
Resveratrol and closely related stilbenoids belong to the most intensively studied biologically active compounds. This interest evoked several attempts to prepare such compounds in a convenient synthetic way. Our approach allowed obtaining largely methoxystilbenes, formed as E-isomers only (using Wittig-Horner synthesis as the key step), which were further demethylated by boron tribromide. The hydroxymethoxystilbenes (e.g. pterostilbene) were prepared using isopropyl protection, later selectively deprotected by boron trichloride. The method is suitable for preparing such compounds in a large amount. Effects of the obtained stilbene derivatives on immunobiological responses triggered by lipopolysacharide and interferon-a were tested under in vitro conditions. Namely production of nitric oxide (NO) was investigated, and relation between the molecular structure and immunobiological activity was assessed.
1, 3 - DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS
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Page/Page column 72-73, (2009/01/24)
Compounds are provided which are glucokinase activators and thus are useful in treating diabetes and related diseases and have the structure wherein in the ring represents one or two double bonds; R1 is alkyl, aryl, arylalkyl, heteroaryl, or he
Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator
Frederickson, Martyn,Callaghan, Owen,Chessari, Gianni,Congreve, Miles,Cowan, Suzanna R.,Matthews, Julia E.,McMenamin, Rachel,Smith, Donna-Michelle,Vinkovic, Mladen,Wallis, Nicola G.
, p. 183 - 186 (2008/09/19)
Fragment-based lead discovery has been applied to urokinase-type plasminogen activator (uPA). The (R)-enantiomer of the orally active drug mexiletine 5 (a fragment hit from X-ray crystallographic screening) was the chemical starting point. Structure-aided
ASPARTYL PROTEASE INHIBITORS
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Page 194-196, (2010/02/05)
The present invention provides compounds having formula (I): wherein R’, R0, R1, X1, R2, R3, R3’, X2, X3, and R4 are as defined herein, and pharmaceuticals compositions thereof. The present invention also provides methods of inhibiting proteases, more specially aspartyl proteases. In certain embodiments, compounds inhibit BACE (β-site APP-cleaving enzyme), and thus are useful in the treatment or prevention of a disease characterized by β-amyloid deposits in the brain (including, but not limited to, Alzheimer’s Disease). The present invention also provides methods for preparing compounds of the invention.
Phenanthrene Synthesis: Coeloginin a Novel 9,10-Dihydrophenanthrene from the Orchid Coelogyne cristata
Sargent, Melvyn V.,Stanojevic, Edi
, p. 1919 - 1921 (2007/10/02)
The synthesis of 2,6-dihydroxy-7,8-dimethoxy-9,10-dihydro-5H-phenanthropyran-5-one (coeloginin) (1), a natural product isolated from the orchid Coelogyne cristata, is described.The key step involved the treatment of methyl 9,10-dihydro-5,7-di-iso
